CID 453630

5',4'-iprdiomedt

Structural Information

Molecular Formula
C14H20N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H](C3(O2)COC(OC3)(C)C)O
InChI
InChI=1S/C14H20N2O6/c1-8-5-16(12(19)15-11(8)18)10-4-9(17)14(22-10)6-20-13(2,3)21-7-14/h5,9-10,17H,4,6-7H2,1-3H3,(H,15,18,19)/t9-,10+/m0/s1
InChIKey
HLCYQXMZDACMCU-VHSXEESVSA-N
Compound name
1-[(2R,4S)-4-hydroxy-8,8-dimethyl-1,7,9-trioxaspiro[4.5]decan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13214 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13942 167.2
[M+Na]+ 335.12136 176.6
[M-H]- 311.12486 173.5
[M+NH4]+ 330.16596 180.1
[M+K]+ 351.09530 176.8
[M+H-H2O]+ 295.12940 160.9
[M+HCOO]- 357.13034 179.3
[M+CH3COO]- 371.14599 198.7
[M+Na-2H]- 333.10681 171.0
[M]+ 312.13159 167.7
[M]- 312.13269 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.